1,3-dioxa-2-ferracyclopentane-4,5-dione dihydrate

• ChemBase ID: 145509
• Molecular Formular: C2H4FeO6
• Molecular Mass: 179.89456
• Monoisotopic Mass: 179.93572535
• SMILES: C1(=O)C(=O)O[Fe]O1.O.O
• Canonical SMILES: O=C1O[Fe]OC1=O.O.O
• InChI: InChI=1S/C2H2O4.Fe.2H2O/c3-1(4)2(5)6;;;/h(H,3,4)(H,5,6);;2*1H2/q;+2;;/p-2
• InChIKey: NPLZZSLZTJVZSX-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3-dioxa-2-ferracyclopentane-4,5-dione dihydrate
• IUPAC Traditional name: ferrous oxalate dihydrate
• Synonyms: Ferrous oxalate dihydrate; Iron(II) oxalate dihydrate; 草酸亚铁 二水合物; 草酸铁(II) 二水合物

Database IDs

• CAS Number: 6047-25-2
• EC Number: 208-217-4
• MDL Number: MFCD00150040
• Beilstein Number: 3757620
• PubChem SID: 162239714; 24858619; 24855499
• PubChem CID: 16211725

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.7814
• LogD (pH = 7.4): 1.7814
• Log P: 1.7814
• Molar Refractivity: 12.5834 cm^3
• Polarizability: 8.875507 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: powder
• Density: 2.28 g/mL at 25 °C(lit.)

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 1
• Risk Statements: 21/22
• Safety Statements: 24/25
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312
• GHS Precautionary statements: P280
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥98.0% (RT); ≥99%; ≥99.99% trace metals basis; 99%
• Grade: purum
• Impurities: ≤0.01% heavy metals (as Pb)
• Antion Traces: chloride (Cl-): ≤50 mg/kg; sulfate (SO42-): ≤1000 mg/kg
• Linear Formula: Fe(C2O4) · 2H2O

DETAILS

Sigma Aldrich - 307726

Packaging
25, 500 g in glass bottle

Sigma Aldrich - 255971

Packaging
10 g in poly bottle